American Mineralogist Crystal Structure Database

5 matching records for this search.

Reichenbachite
Download hom/reichenbachite.pdf
Anderson J B, Shoemaker G L, Kostiner E, Ruszala F A
Download am/vol62/AM62_115.pdf
American Mineralogist 62 (1977) 115-121
The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of
pseudomalachite
_database_code_amcsd 0000558
9.186 10.684 4.461 90 92.31 90 P2_1/a
atom      x      y      z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Cu1       0      0      0 .001632 .000920 .017239        0  .002444        0
Cu2  .36470 .07582 .02040 .000772 .000810 .017616  .000229 -.000122 -.001050
Cu3  .13548 .26393 .03540 .001128 .000767 .015225  .000382 -.001039 -.000735
P    .38740 .29890 .47930 .000712 .000723 .011199 -.000178  .000122 -.000157
O1   -.0023  .1282  .2997 .001513 .001577 .016861  .000229  .000000 -.001627
O2    .2932  .2155  .2560 .000920 .000964 .013841 -.000051 -.001100 -.000892
O3    .2896  .3826  .6570 .003086 .001424 .020636  .000535  .002933 -.001732
O4    .4725  .2051  .6834 .001424 .001292 .013967 -.000484 -.001283  .000945
O5    .0724  .4202  .1625 .001246 .000635 .016106 -.000204  .000978 -.000052
O6    .1687  .0890 -.1646 .001039 .000131 .016484 -.000459  .000917 -.001155
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Pseudomalachite
Download hom/pseudomalachite.pdf
Shoemaker G L, Anderson J B, Kostiner E
Download am/vol62/AM62_1042.pdf
American Mineralogist 62 (1977) 1042-1048
Refinement of the crystal structure of pseudomalachite
_database_code_amcsd 0000600
4.4728 5.7469 17.032 90 91.043 90 P2_1/c
atom      x      y      z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Cu1       0      0      0 .015626 .007418 .001138        0  .001412        0
Cu2   .0461  .4726 .08560 .014751 .009538 .000655  .003210 -.000098  .000102
Cu3  -.0171  .3287 .25705 .015501 .006586 .000922 -.000973 -.001280  .000204
P     .5255  .0942 .13480 .009375 .007418 .000638 -.000097 -.000098  .000000
O1    .7109  .1561  .0622 .014500 .011733 .000879  .000973  .000854  .000102
O2    .3242  .3059  .1511 .015251 .009538 .000776  .005545 -.000263 -.000230
O3    .7405  .0762  .2077 .014876 .006510 .000853  .000195 -.001149  .000204
O4    .3487  .8725  .1247 .017501 .011354 .001535 -.002918 -.000788 -.000026
OH5   .1722  .3201 -.0142 .012000 .008554 .000793  .001362  .000000  .000128
OH6   .1521  .0719  .3166 .011000 .006207 .000707 -.000875 -.000427  .000281
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Ludjibaite
Download hom/ludjibaite.pdf
Shoemaker G L, Anderson J B, Kostiner E
Download am/vol66/AM66_169.pdf
American Mineralogist 66 (1981) 169-175
The crystal structure of a third polymorph of Cu5(PO4)2(OH)4
Note: related to pseudomalachite and ludjibaite
_database_code_amcsd 0000808
4.445 5.873 8.668 103.62 90.35 93.02 P-1
atom      x       y      z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)  B(2,3)
Cu1       0      .5     .5 .010281 .003926 .003489 -.000494 -.002876 .000156
Cu2       0       0      0 .009393 .004080 .001762 -.001878 -.000669 .001042
Cu3       0      .5      0 .011170 .003310 .003947 -.000593  .003678 .000729
Cu4  .03434 -.03012 .32894 .011677 .006158 .001515 -.003657  .000201 .000781
P     .5087   .3265 .22657 .005458 .004080 .001868 -.000692  .000268 .000521
O1    .6980   .3087  .0767 .012820 .006543 .002502 -.002471  .002274 .001198
O2    .7054   .2946  .3657 .010154 .006774 .002925 -.002471 -.002608 .001302
O3    .2844   .1029  .1873 .009900 .007390 .002114 -.004646  .000067 .000781
O4    .6632   .4524  .7330 .012693 .006466 .005815  .003756  .000869 .000521
OH5   .1695   .1955  .5272 .007743 .005388 .002114 -.000988 -.000535 .001198
OH6   .1551   .2078  .8721 .006981 .004618 .001938 -.000593  .000669 .000781
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Gatehouseite
Download hom/gatehouseite.pdf
Ruszala F A, Anderson J B, Kostiner E
 
Inorganic Chemistry 16 (1977) 2417-2422
Crystal structures of two isomorphs of arsenoclasite:
Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4
Locality: synthetic
_database_code_amcsd 0012684
9.110 18.032 5.6923 90 90 90 P2_12_12_1
atom      x      y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Mn1  .37734 .12443 .4464 .002982 .000823 .007098  .000061 -.000048 -.000049
Mn2  .39044 .02892 .9493 .003314 .000746 .007638 -.000137  .000145  .000000
Mn3  .35093 .22503 .9350 .003404 .000846 .007330 -.000137  .000482 -.000097
Mn4  .74725 .93286 .7653 .003073 .000792 .007716  .000015 -.000193  .000000
Mn5  .50318 .81984 .0860 .003344 .000946 .007253  .000122 -.000096 -.000122
P1    .6787 .12243 .8052 .002169 .000761 .005401  .000076  .000096 -.000146
P2    .4297 .87349 .6197 .002500 .000700 .005864  .000076 -.000048  .000049
O1    .7440  .8566 .0742 .002892 .000900 .007793 -.000183  .000048  .000049
O2    .5093  .1271 .7760 .002741 .001069 .008719 -.000289 -.000723  .000219
O3    .7260  .1713 .0110 .002741 .000884 .008641  .000198 -.000820 -.000268
O4    .7177  .0424 .8803 .004097 .000661 .007947  .000107 -.000386 -.000317
O5    .2603  .8755 .6195 .002651 .000992 .007793 -.000152  .000241 -.000268
O6    .4959  .9297 .7944 .003042 .001061 .009953  .000122 -.000386 -.000706
O7    .4833  .8908 .3715 .003073 .000923 .006712 -.000030  .000096  .000268
O8    .4820  .7976 .7113 .003524 .000730 .007870  .000061  .000289  .000000
OH9   .4675  .2175 .2538 .003163 .000861 .006790 -.000243  .000096  .000000
OH10  .2648  .7950 .1190 .003555 .000853 .008256 -.000061 -.000241 -.000365
OH11  .2545  .0434 .6427 .003765 .000869 .007716  .000030  .000241 -.000049
OH12  .5181  .0481 .2704 .003163 .000761 .008719  .000335 -.000579 -.000097
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Co5(OH)4(PO4)2
 
Ruszala F A, Anderson J B, Kostiner E
 
Inorganic Chemistry 16 (1977) 2417-2422
Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4
Locality: synthetic
_database_code_amcsd 0012685
8.903 17.3970 5.5154 90 90 90 P2_12_12_1
atom     x      y     z Biso
Co1  .3772 .12597 .4463  .37
Co2  .3815 .03206 .9533  .39
Co3  .3566 .22173 .9309  .40
Co4  .7496 .93130 .7671  .44
Co5  .5066 .82190 .0864  .46
P1   .6801  .1203 .8106  .24
P2   .4293  .8718 .6250  .26
O1   .7422  .8582 .0679  .43
O2   .5076  .1227 .7788  .41
O3   .7277  .1735 .0213  .56
O4   .7273  .0399 .8966  .47
O5   .2557  .8731 .6203  .37
O6   .4972  .9293 .8110  .67
O7   .4843  .8905 .3711  .50
O8   .4815  .7928 .7220  .55
OH9  .4666  .2199 .2531  .51
OH10 .2615  .7972 .1215  .52
OH11 .2576  .0412 .6385  .43
OH12 .5159  .0512 .2675  .46
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Total number of retrieved datasets: 5
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